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(Q82002828)
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English
Thiocyanic acid, (4-nitrophenyl)methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
p-nitrophenyl polyketide
1 reference
based on heuristic
inferred from SMILES
mass
194.014998432
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₈H₆N₂O₂S
0 references
canonical SMILES
C1=CC(=CC=C1CSC#N)[N+](=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C8H6N2O2S/c9-6-13-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2
0 references
InChIKey
NUMYTLIHYKESKM-UHFFFAOYSA-N
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CAS Registry Number
13287-49-5
1 reference
InChIKey
NUMYTLIHYKESKM-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=13287-49-5
PubChem CID
83306
1 reference
matched by identifier from
InChIKey
InChIKey
NUMYTLIHYKESKM-UHFFFAOYSA-N
UniChem compound ID
16758055
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID5074503
1 reference
matched by identifier from
InChIKey
InChIKey
NUMYTLIHYKESKM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID3034117
0 references
NSC number
56364
0 references
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